SCHEMBL4977596

SCHEMBL4977596

Fc1ccc2c(c1)C1(CCNCC1)OCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.40
HTR2C P28335 4/20 0.38
DPP4 P27487 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
OPRM1 P35372 2/20 0.36
OGFRL1 Q5TC84 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
HTR2A P28223 1/20 0.36
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
HTR2B P41595 1/20 0.34
AKR1B10 O60218 1/20 0.34
MAPT P10636 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4975911 0.89 DPP4 (0.40) KDM1AHTR2CDPP4KMT2ASIGMAR1
SCHEMBL1587932 0.84 DPP4 (0.43) KDM1AHTR2CDPP4KMT2AOPRL1
Hydrochloric Acid SCHEMBL3561180 0.83 DPP4 (0.42) KDM1AHTR2CDPP4KMT2AOPRL1
SCHEMBL25359962 0.81 HTR2C (0.46) KDM1AHTR2CSIGMAR1HTR2AHTR2B
SCHEMBL26008714 0.81 KDM1A (0.40) KDM1ASIGMAR1OPRM1OGFRL1HTR2A
SCHEMBL25360353 0.81 HTR2C (0.40) HTR2CSIGMAR1OPRD1OPRK1HTR2A
SCHEMBL30484433 0.79 SIGMAR1 (0.55) HTR2CSIGMAR1OPRM1OPRD1OPRK1
SCHEMBL1588897 0.79 SIGMAR1 (0.55) HTR2CSIGMAR1OPRM1OPRD1OPRK1
Butane SCHEMBL8575686 0.78 HTR2C (0.39) KDM1AHTR2CDPP4OPRL1
SCHEMBL26008396 0.78 HTR2C (0.42) HTR2CSIGMAR1OPRM1OGFRL1OPRL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
US-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 US disclosed
EP-1732928-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-12-20 EP disclosed
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 US disclosed
WO-2005092895-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 KDM1A 1128/4885HTR2C 2706/4885DPP4 3584/4885
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 KDM1A 1220/4885HTR2C 1394/4885DPP4 2919/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.